# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Ko-W-S-Lee-J-S-Kim-D-H--Ag-Cu-Sn # implementation = 2021--Ko-W-S--Ag-Cu-Sn--LAMMPS--ipr1 # composition = AgCuSn2 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2026-06-16 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 6.409393791e+02 6.409393791e+02 1.00 6.048785563e+02 6.048785563e+02 1.02 5.707431625e+02 5.707431625e+02 1.04 5.384342171e+02 5.384342171e+02 1.06 5.078576674e+02 5.078576674e+02 1.08 4.789241507e+02 4.789241507e+02 1.10 4.515487669e+02 4.515487669e+02 1.12 4.256508621e+02 4.256508621e+02 1.14 4.011538224e+02 4.011538224e+02 1.16 3.779848777e+02 3.779848777e+02 1.18 3.560749139e+02 3.560749139e+02 1.20 3.353582951e+02 3.353582951e+02 1.22 3.157726932e+02 3.157726932e+02 1.24 2.972589261e+02 2.972589261e+02 1.26 2.797608041e+02 2.797608041e+02 1.28 2.632249824e+02 2.632249824e+02 1.30 2.476008217e+02 2.476008217e+02 1.32 2.328402549e+02 2.328402549e+02 1.34 2.188976603e+02 2.188976603e+02 1.36 2.057297415e+02 2.057297415e+02 1.38 1.932954117e+02 1.932954117e+02 1.40 1.815556849e+02 1.815556849e+02 1.42 1.704735717e+02 1.704735717e+02 1.44 1.600139802e+02 1.600139802e+02 1.46 1.501436218e+02 1.501436218e+02 1.48 1.408309214e+02 1.408309214e+02 1.50 1.320459321e+02 1.320459321e+02 1.52 1.237602537e+02 1.237602537e+02 1.54 1.159469559e+02 1.159469559e+02 1.56 1.085805043e+02 1.085805043e+02 1.58 1.016366907e+02 1.016366907e+02 1.60 9.509256640e+01 9.509256640e+01 1.62 8.892637888e+01 8.892637888e+01 1.64 8.311751169e+01 8.311751169e+01 1.66 7.764642706e+01 7.764642706e+01 1.68 7.249461147e+01 7.249461147e+01 1.70 6.764452381e+01 6.764452381e+01 1.72 6.307954612e+01 6.307954612e+01 1.74 5.878393676e+01 5.878393676e+01 1.76 5.474278581e+01 5.474278581e+01 1.78 5.094197276e+01 5.094197276e+01 1.80 4.736812624e+01 4.736812624e+01 1.82 4.400858572e+01 4.400858572e+01 1.84 4.085136512e+01 4.085136512e+01 1.86 3.788511827e+01 3.788511827e+01 1.88 3.509910598e+01 3.509910598e+01 1.90 3.248316486e+01 3.248316486e+01 1.92 3.002767757e+01 3.002767757e+01 1.94 2.772354468e+01 2.772354468e+01 1.96 2.556215783e+01 2.556215783e+01 1.98 2.353537427e+01 2.353537427e+01 2.00 2.163549270e+01 2.163549270e+01 2.02 1.985523027e+01 1.985523027e+01 2.04 1.818770075e+01 1.818770075e+01 2.06 1.662639385e+01 1.662639385e+01 2.08 1.516515549e+01 1.516515549e+01 2.10 1.379816916e+01 1.379816916e+01 2.12 1.251993812e+01 1.251993812e+01 2.14 1.132526860e+01 1.132526860e+01 2.16 1.020925382e+01 1.020925382e+01 2.18 9.167258756e+00 9.167258756e+00 2.20 8.194905788e+00 8.194905788e+00 2.22 7.288061003e+00 7.288061003e+00 2.24 6.442821238e+00 6.442821238e+00 2.26 5.655501760e+00 5.655501760e+00 2.28 4.922624594e+00 4.922624594e+00 2.30 4.240907453e+00 4.240907453e+00 2.32 3.607253220e+00 3.607253220e+00 2.34 3.018739992e+00 3.018739992e+00 2.36 2.472611630e+00 2.472611630e+00 2.38 1.966268796e+00 1.966268796e+00 2.40 1.497260462e+00 1.497260462e+00 2.42 1.063275854e+00 1.063275854e+00 2.44 6.621368190e-01 6.621368190e-01 2.46 2.917905943e-01 2.917905943e-01 2.48 -4.969705434e-02 -4.969705434e-02 2.50 -3.641483275e-01 -3.641483275e-01 2.52 -6.532795442e-01 -6.532795442e-01 2.54 -9.187069787e-01 -9.187069787e-01 2.56 -1.161952380e+00 -1.161952380e+00 2.58 -1.384450417e+00 -1.384450417e+00 2.60 -1.587567049e+00 -1.587567049e+00 2.62 -1.772540913e+00 -1.772540913e+00 2.64 -1.940560109e+00 -1.940560109e+00 2.66 -2.092762010e+00 -2.092762010e+00 2.68 -2.230201846e+00 -2.230201846e+00 2.70 -2.353871589e+00 -2.353871589e+00 2.72 -2.464703523e+00 -2.464703523e+00 2.74 -2.563573608e+00 -2.563573608e+00 2.76 -2.651304679e+00 -2.651304679e+00 2.78 -2.728669455e+00 -2.728669455e+00 2.80 -2.796393399e+00 -2.796393399e+00 2.82 -2.855157412e+00 -2.855157412e+00 2.84 -2.905600391e+00 -2.905600391e+00 2.86 -2.948321633e+00 -2.948321633e+00 2.88 -2.983883125e+00 -2.983883125e+00 2.90 -3.012811691e+00 -3.012811691e+00 2.92 -3.035601031e+00 -3.035601031e+00 2.94 -3.052713648e+00 -3.052713648e+00 2.96 -3.064582664e+00 -3.064582664e+00 2.98 -3.071613534e+00 -3.071613534e+00 3.00 -3.074185674e+00 -3.074185674e+00 3.02 -3.072683370e+00 -3.072683370e+00 3.04 -3.067795536e+00 -3.067795536e+00 3.06 -3.059942775e+00 -3.059942775e+00 3.08 -3.047979203e+00 -3.047979203e+00 3.10 -3.033097590e+00 -3.033097590e+00 3.12 -3.015568863e+00 -3.015568863e+00 3.14 -2.995628412e+00 -2.995628412e+00 3.16 -2.973495680e+00 -2.973495680e+00 3.18 -2.949375128e+00 -2.949375128e+00 3.20 -2.923457138e+00 -2.923457138e+00 3.22 -2.895918870e+00 -2.895918870e+00 3.24 -2.866925067e+00 -2.866925067e+00 3.26 -2.836628813e+00 -2.836628813e+00 3.28 -2.805172247e+00 -2.805172247e+00 3.30 -2.772687236e+00 -2.772687236e+00 3.32 -2.739296013e+00 -2.739296013e+00 3.34 -2.705111764e+00 -2.705111764e+00 3.36 -2.670239199e+00 -2.670239199e+00 3.38 -2.634775073e+00 -2.634775073e+00 3.40 -2.598808688e+00 -2.598808688e+00 3.42 -2.562422355e+00 -2.562422355e+00 3.44 -2.525691836e+00 -2.525691836e+00 3.46 -2.488686753e+00 -2.488686753e+00 3.48 -2.451470982e+00 -2.451470982e+00 3.50 -2.414103007e+00 -2.414103007e+00 3.52 -2.376636270e+00 -2.376636270e+00 3.54 -2.339119487e+00 -2.339119487e+00 3.56 -2.301596949e+00 -2.301596949e+00 3.58 -2.264108803e+00 -2.264108803e+00 3.60 -2.226691316e+00 -2.226691316e+00 3.62 -2.189377125e+00 -2.189377125e+00 3.64 -2.152195462e+00 -2.152195462e+00 3.66 -2.115172377e+00 -2.115172377e+00 3.68 -2.078330937e+00 -2.078330937e+00 3.70 -2.041691417e+00 -2.041691417e+00 3.72 -2.005271474e+00 -2.005271474e+00 3.74 -1.969086318e+00 -1.969086318e+00 3.76 -1.933148859e+00 -1.933148859e+00 3.78 -1.897469862e+00 -1.897469862e+00 3.80 -1.862058073e+00 -1.862058073e+00 3.82 -1.826920351e+00 -1.826920351e+00 3.84 -1.792061788e+00 -1.792061788e+00 3.86 -1.757485821e+00 -1.757485821e+00 3.88 -1.723194336e+00 -1.723194336e+00 3.90 -1.689187775e+00 -1.689187775e+00 3.92 -1.655465227e+00 -1.655465227e+00 3.94 -1.622024531e+00 -1.622024531e+00 3.96 -1.588862360e+00 -1.588862360e+00 3.98 -1.555974318e+00 -1.555974318e+00 4.00 -1.523355036e+00 -1.523355036e+00 4.02 -1.490998258e+00 -1.490998258e+00 4.04 -1.458896953e+00 -1.458896953e+00 4.06 -1.427043410e+00 -1.427043410e+00 4.08 -1.395429361e+00 -1.395429361e+00 4.10 -1.364046102e+00 -1.364046102e+00 4.12 -1.332884634e+00 -1.332884634e+00 4.14 -1.301935816e+00 -1.301935816e+00 4.16 -1.271190547e+00 -1.271190547e+00 4.18 -1.240639956e+00 -1.240639956e+00 4.20 -1.210275631e+00 -1.210275631e+00 4.22 -1.180089869e+00 -1.180089869e+00 4.24 -1.150075966e+00 -1.150075966e+00 4.26 -1.119576589e+00 -1.119576589e+00 4.28 -1.074998576e+00 -1.074998576e+00 4.30 -9.744048667e-01 -9.744048667e-01 4.32 -7.878209237e-01 -7.878209237e-01 4.34 -7.128726767e-01 -7.128726767e-01 4.36 -6.892660314e-01 -6.892660314e-01 4.38 -6.664300903e-01 -6.664300903e-01 4.40 -6.444014911e-01 -6.444014911e-01 4.42 -6.232108348e-01 -6.232108348e-01 4.44 -6.028816117e-01 -6.028816117e-01 4.46 -5.834293437e-01 -5.834293437e-01 4.48 -5.648609921e-01 -5.648609921e-01 4.50 -5.471746695e-01 -5.471746695e-01 4.52 -5.303596734e-01 -5.303596734e-01 4.54 -5.143968403e-01 -5.143968403e-01 4.56 -4.992591997e-01 -4.992591997e-01 4.58 -4.849128863e-01 -4.849128863e-01 4.60 -4.713182591e-01 -4.713182591e-01 4.62 -4.584311635e-01 -4.584311635e-01 4.64 -4.462042671e-01 -4.462042671e-01 4.66 -4.345884043e-01 -4.345884043e-01 4.68 -4.235338657e-01 -4.235338657e-01 4.70 -4.129915793e-01 -4.129915793e-01 4.72 -4.029141421e-01 -4.029141421e-01 4.74 -3.932566716e-01 -3.932566716e-01 4.76 -3.839774623e-01 -3.839774623e-01 4.78 -3.750384416e-01 -3.750384416e-01 4.80 -3.664054339e-01 -3.664054339e-01 4.82 -3.580482486e-01 -3.580482486e-01 4.84 -3.499406156e-01 -3.499406156e-01 4.86 -3.420599966e-01 -3.420599966e-01 4.88 -3.343873017e-01 -3.343873017e-01 4.90 -3.269065429e-01 -3.269065429e-01 4.92 -3.188129446e-01 -3.188129446e-01 4.94 -3.001199584e-01 -3.001199584e-01 4.96 -2.456898463e-01 -2.456898463e-01 4.98 -1.282216597e-01 -1.282216597e-01 5.00 -9.342244135e-23 -9.390788421e-23 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 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0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00